ACCESSION: MSBNK-RIKEN_NPDepo-NGA03370
RECORD_TITLE: lycoperodine I; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant, Pyrans

CH$NAME: lycoperodine I
CH$COMPOUND_CLASS: Flavonoids
CH$FORMULA: C₁₂H₁₂N₂O₂
CH$EXACT_MASS: 216.2416
CH$SMILES: O=C(O)[C@H]1Cc2c([nH]c3ccccc23)CN1
CH$IUPAC: InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)/t10-/m1/s1
CH$LINK: CAS 42438-90-4
CH$LINK: CHEMSPIDER 395977
CH$LINK: INCHIKEY FSNCEEGOMTYXKY-SNVBAGLBSA-N
CH$LINK: COMPTOX DTXSID80350176
CH$LINK: PUBCHEM CID:675102

AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0006-0900000000-508330d08dec2e3ee89e
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  143.2 1.19 1
  143.3 3.31 3
  143.4 7.09 7
  143.5 11.66 11
  143.6 18.27 18
  143.7 31.33 31
  143.8 53.03 52
  143.9 77.6 77
  144.0 94.9 94
  144.1 100.0 99
  144.2 94.91 94
  144.3 81.4 81
  144.4 59.0 58
  144.5 31.54 31
  144.6 8.79 8
  144.7 0.0 0
//